SCHEMBL18057407

SCHEMBL18057407

CN(C)C1CCN(c2ccc3cc(C(C)(C)O)c4nc5ccccc5n4c3n2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.42
▸ HRH1 P35367 5/20 0.41
▸ KCNH2 Q12809 5/20 0.41
▸ CHRM1 P11229 2/20 0.41
▸ MAP4K4 O95819 1/20 0.40
▸ HRH3 Q9Y5N1 4/20 0.39
▸ HRH4 Q9H3N8 3/20 0.39
▸ CHEK2 O96017 3/20 0.38
▸ CYP2D6 P10635 3/20 0.37
▸ MCHR1 Q99705 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23161884 0.87 HRH1 (0.42) PDE10AHRH1KCNH2CHRM1MAP4K4
SCHEMBL18057404 0.87 PDE10A (0.39) PDE10AHRH3HRH4MCHR1
SCHEMBL20078410 0.85 DYRK1A (0.41) PDE10AHRH1KCNH2CHRM1HRH3
SCHEMBL19365030 0.84 SMN1; SMN2 (0.41) PDE10AMAP4K4
SCHEMBL18057400 0.83 MAP4K4 (0.39) PDE10AMAP4K4HRH4
SCHEMBL17255025 0.82 PDE10A (0.43) PDE10AHRH1KCNH2CHRM1MAP4K4
SCHEMBL18057396 0.81 HTR3A (0.48) HRH3HRH4
SCHEMBL30287974 0.81 PDE10A (0.41) PDE10AHRH1KCNH2CHRM1MAP4K4
SCHEMBL19636369 0.81 PDE10A (0.41) PDE10AHRH1KCNH2CHRM1MAP4K4
SCHEMBL18057398 0.81 PDE10A (0.37) PDE10ACYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200361937-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2020-11-19 — — US disclosed
US-10590134-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2020-03-17 — — US disclosed
US-10442801-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2019-10-15 — — US disclosed
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2018-03-22 — — US disclosed
EP-3219716-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM Pimera, Inc. (US) 2017-09-20 — — EP disclosed
US-9758518-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2017-09-12 — — US disclosed
US-9758518-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2017-09-12 — — US disclosed
US-9512123-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2016-12-06 — — US disclosed
US-9512123-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2016-12-06 — — US disclosed
US-20160326176-A1 Novel Compositions, Uses and Methods for Making Them PIMERA, INC 2016-11-10 — — US disclosed
US-20160326176-A1 Novel Compositions, Uses and Methods for Making Them PIMERA, INC 2016-11-10 — — US disclosed
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2016-09-08 — — US disclosed
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2016-09-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160326176-A1 Novel Compositions, Uses and Methods for Making Them BAX, CASP3, BCL2 PDE10A 1165/4885HRH1 4375/4885KCNH2 3820/4885
US-10590134-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 PDE10A 848/4885HRH1 4378/4885KCNH2 3565/4885
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 PDE10A 1165/4885HRH1 4375/4885KCNH2 3820/4885
US-20200361937-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 PDE10A 1165/4885HRH1 4375/4885KCNH2 3820/4885
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 PDE10A 1165/4885HRH1 4375/4885KCNH2 3820/4885
US-10442801-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 PDE10A 848/4885HRH1 4378/4885KCNH2 3565/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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